Molecule ID: mol4002

SMILES: CC1(C)C(=O)NN=C1N

InChI: InChI=1S/C5H9N3O/c1-5(2)3(6)7-8-4(5)9/h1-2H3,(H2,6,7)(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.10 QSARToolbox 1 » 0
2.10 IUPAC digitized pKa 1 » 0
2.10 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization